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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50113749   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM50113749
PNG
(2-[6-(3-Chloro-4-fluoro-phenylamino)-9-isopropyl-9...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)c(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H24ClFN6O/c1-10(2)15(8-28)24-19-25-17(23-12-5-6-14(21)13(20)7-12)16-18(26-19)27(9-22-16)11(3)4/h5-7,9-11,15,28H,8H2,1-4H3,(H2,23,24,25,26)/t15-/m0/s1
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n/an/a 3.60E+5n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1)

J Med Chem 45: 2366-78 (2002)


BindingDB Entry DOI: 10.7270/Q25B01SB
More data for this
Ligand-Target Pair